Cheminformatics Data Standards and Standards Groups
- InChI the IUPAC International Chemical Identifier
- SMILES
- Structure Data Format (SDF) Files
- CT File (MDL)
- WWMM Chemical Markup Language
- Chemical Markup Language (CML) (original site)
- Chemical Markup Language (CML) (original poster)
- CML at SourceForge
- caBIG Compatibility and Certification
- The Chemical MIME Home Page
- CambridgeSoft CDX for ChemDraw [See the Software Developer's Kit]
- CXF : chemical eXchange format, version 1.0 / (Chemical Abstracts Service book available from the Indiana University Chemistry Library: QD8.3 .C97 1994
- CiDX: Chemical Industry Data Exchange
- Crystallographic Information File Format (CIF)
- Encoded Archival Description (EAD)
- EPrints
- ERCC - External RNA Control Consortium (National Institute of Standards and Technology)
- Glossolalia: a common language for MS data (mzXML: Institute for Systems Biology)
- Guidance Documents for NARSTO and U.S. EPA Supersites Program
- inchi.info
- HUPO Proteomics Standard Initiative (Human Proteome Organisation)
- IUPAC CPEP Subcommittee on Electronic Data Standards (JCAMP-DX and XML)
- littleb.org
- LSIT Global Institute
- MacMolecule and PCMolecule file formats
- MDL's CTfile Formats (See "Download Products")
- Minimum information about a microarry experiment (MIAME) (MGED Society)
- MicroArray and Gene Expression (MAGE)(MGED Society)
- MAQC - MicroArray Quality Control Project (US Food and Drug Administration)
- MIRIAM - a standard for computational models in biology (Biomodels.net)
- The NCBI C++ Toolkit
- netCDF (network Common Data Form)
- NISO (National Information Standards Organization)
- OAIster
- OMG Life Sciences Research Group
- Open Archives Initiative
- PDB - Protein Data Bank
- Proteomics Standards Initiative (PSI)
- SBML - Systems Biology Markup Language
- SMRS: The Standard Metabolic Reporting Structure
- Tripos Mol2 file format
- UniProtKB/Swiss-Prot Documentation
- VOTables format
Converters of Chemical Structure Formats
- Open Babel
- Mol2Mol
- CLiDE (chemical literature data extraction tool from SimBioSys)
- ACD/ChemSketch
- Corina